2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide

C23H32N2O4S — CID 133229549

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
SMILESCCc1ccc(OCCNC(=O)C(CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O4S/c1-6-19-9-12-21(13-10-19)29-15-14-24-23(26)22(7-2)25(30(5,27)28)20-11-8-17(3)18(4)16-20/h8-13,16,22H,6-7,14-15H2,1-5H3,(H,24,26)
InChIKeyIJRMZXXOBRRWQB-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.61
Rot. Bonds10

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide (PubChem CID 133229549) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
PubChem CID133229549
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
SMILESCCc1ccc(OCCNC(=O)C(CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O4S/c1-6-19-9-12-21(13-10-19)29-15-14-24-23(26)22(7-2)25(30(5,27)28)20-11-8-17(3)18(4)16-20/h8-13,16,22H,6-7,14-15H2,1-5H3,(H,24,26)
InChIKeyIJRMZXXOBRRWQB-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240470
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(3-chloro-4-methylphenoxy)ethyl]butanamide
CID 133245007
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
(2R)-N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125071864
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 28637029
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]butanamide
CID 28575528
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133231241
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240550

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide (CID 133229549) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide is CCc1ccc(OCCNC(=O)C(CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
The InChIKey is IJRMZXXOBRRWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-6-19-9-12-21(13-10-19)29-15-14-24-23(26)22(7-2)25(30(5,27)28)20-11-8-17(3)18(4)16-20/h8-13,16,22H,6-7,14-15H2,1-5H3,(H,24,26).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide has a molecular weight of 432.59 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133229549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).